5-(dimethylamino)-2-fluorobenzoic acid

C9H10FNO2 — CID 15033890

IUPAC5-(dimethylamino)-2-fluorobenzoic acid
SMILESCN(C)c1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C9H10FNO2/c1-11(2)6-3-4-8(10)7(5-6)9(12)13/h3-5H,1-2H3,(H,12,13)
InChIKeyKXINGTOBGMQMIW-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.59
Rot. Bonds2

About 5-(dimethylamino)-2-fluorobenzoic acid

5-(dimethylamino)-2-fluorobenzoic acid (PubChem CID 15033890) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is 5-(dimethylamino)-2-fluorobenzoic acid.

Molecular Properties

Compound Name5-(dimethylamino)-2-fluorobenzoic acid
PubChem CID15033890
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name5-(dimethylamino)-2-fluorobenzoic acid
SMILESCN(C)c1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C9H10FNO2/c1-11(2)6-3-4-8(10)7(5-6)9(12)13/h3-5H,1-2H3,(H,12,13)
InChIKeyKXINGTOBGMQMIW-UHFFFAOYSA-N
XLogP1.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-fluorobenzoic acid?
The IUPAC name of 5-(dimethylamino)-2-fluorobenzoic acid (CID 15033890) is 5-(dimethylamino)-2-fluorobenzoic acid.
What is the SMILES notation for 5-(dimethylamino)-2-fluorobenzoic acid?
The canonical SMILES for 5-(dimethylamino)-2-fluorobenzoic acid is CN(C)c1ccc(F)c(C(=O)O)c1.
What is the InChIKey of 5-(dimethylamino)-2-fluorobenzoic acid?
The InChIKey is KXINGTOBGMQMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-11(2)6-3-4-8(10)7(5-6)9(12)13/h3-5H,1-2H3,(H,12,13).
What are the key properties of 5-(dimethylamino)-2-fluorobenzoic acid?
5-(dimethylamino)-2-fluorobenzoic acid has a molecular weight of 183.18 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-fluorobenzoic acid is sourced from PubChem (CID 15033890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).